SCHEMBL3434403

SCHEMBL3434403

C=CCOc1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.55
TSHR P16473 2/20 0.54
GAA P10253 1/20 0.54
CYP3A4 P08684 2/20 0.45
FOLH1 Q04609 1/20 0.45
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
PTK2B Q14289 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
HTT P42858 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3436084 0.89 LIG1 (0.51) LIG1TSHRGAACYP3A4FOLH1
SCHEMBL40310 0.85 LIG1 (0.69) LIG1TSHRGAACYP3A4KDM4E
SCHEMBL29519569 0.85 LIG1 (0.69) LIG1TSHRGAACYP3A4KDM4E
SCHEMBL9774243 0.84 LIG1 (0.55) LIG1TSHRGAACYP3A4KDM4E
SCHEMBL2788250 0.83 LIG1 (0.67) LIG1TSHRGAACYP3A4KDM4E
SCHEMBL28253072 0.83 LIG1 (0.67) LIG1TSHRGAACYP3A4KDM4E
SCHEMBL7794511 0.83 LIG1 (0.67) LIG1TSHRGAACYP3A4KDM4E
SCHEMBL8066010 0.83 LIG1 (0.67) LIG1TSHRGAACYP3A4KDM4E
Hydrochloric Acid SCHEMBL7221224 0.83 LIG1 (0.67) LIG1TSHRGAACYP3A4KDM4E
SCHEMBL20423469 0.83 LIG1 (0.54) LIG1TSHRGAACYP3A4KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023248996-A1 METAL OXIDE DISPERSON AND METHOD FOR MANUFACTURING METAL OXIDE FILM USING SAME 東京応化工業株式会社 2023-12-28 WO disclosed
US-8361218-B2 Coloring composition, method for production thereof, and coloring method Dainischiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2013-01-29 US disclosed
US-20100291359-A1 Coloring composition, method for production thereof, and coloring method DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2010-11-18 US disclosed
EP-2206751-A1 COLORING COMPOSITION, METHOD FOR PRODUCTION THEREOF, AND COLORING METHOD Dainichiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2010-07-14 EP disclosed
US-4310527-A DISORDERS OF CAROIAC RHYTHM AND CORONARY HEART DISEASES AND HYDPERTENSION CIBA-GEIGY CORPORATION (US) 1982-01-12 US disclosed
EP-0003758-A1 Etherified hydroxy-benzodiheterocycles and their acid addition salts, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1979-09-05 EP disclosed
US-4140789-A ADRENERGIC BLOCKING AGENTS, CARDIOTONIC, ANTIARRHYTHMIA, HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1979-02-20 US disclosed